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Ligand clusters for UniProt code P21964

Ligand clusters for P21964: Catechol O-methyltransferase OS=Homo sapiens GN=COMT PE=1 SV=2

5 ligand clusters
Cluster 1.
4 ligand types
12 ligands
Cluster 2.
1 ligand type
1 ligand
Cluster 3.
1 ligand type
1 ligand
Cluster 4.
1 ligand type
1 ligand
Cluster 5.
2 ligand types
4 ligands
Representative protein: 3bwmA  
 

Structures

PDB   Schematic diagram
3bwmA    
3bwyA    
3a7eA    
4pyiA    
4pyjA    
 more ...

 

 Cluster 1 contains 4 ligand types

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Ligand Description


 
1. Ligand: SAM × 3
s-adenosylmethionine
S-Adenosylmethionine
PDB codes: 3a7e(A), 3bwm(A), 3bwy(A).

_Mg
 
2. Metal: _MG × 5
PDB codes: 3a7e(A), 3bwm(A), 3bwy(A), 4pyj(A), 4pyk(A).


 
3. Ligand: DNC × 3
3,5-Dinitrocatechol
PDB codes: 3a7e(A), 3bwm(A), 3bwy(A).

_Cl
 
4. Metal: _CL × 1
PDB code: 4pyk(A).

 

 Cluster 2 contains 1 ligand type

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Ligand Description


 
1. Ligand: MPD × 1
(4s)-2-Methyl-2,4-Pentanediol
PDB code: 3bwy(A).

 

 Cluster 3 contains 1 ligand type

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Ligand Description


 
1. Ligand: MPD × 1
(4s)-2-Methyl-2,4-Pentanediol
PDB code: 3bwy(A).

 

 Cluster 4 contains 1 ligand type

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Ligand Description


 
1. Ligand: MPD × 1
(4s)-2-Methyl-2,4-Pentanediol
PDB code: 3bwy(A).

 

 Cluster 5 contains 2 ligand types

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Ligand Description

_Na
 
1. Metal: _NA × 3
PDB codes: 4pyi(A), 4pyj(A), 4pyk(A).

__K
 
2. Metal: __K × 1
PDB code: 3bwm(A).

 

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